2-methylpyrimidine-4,6-diamine

C5H8N4 — CID 817709

IUPAC2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(N)n1
InChIInChI=1S/C5H8N4/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H4,6,7,8,9)
InChIKeyLMKVISRKRWWZIS-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.05
Rot. Bonds

About 2-methylpyrimidine-4,6-diamine

2-methylpyrimidine-4,6-diamine (PubChem CID 817709) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylpyrimidine-4,6-diamine
PubChem CID817709
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(N)n1
InChIInChI=1S/C5H8N4/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H4,6,7,8,9)
InChIKeyLMKVISRKRWWZIS-UHFFFAOYSA-N
XLogP-0.05
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
2,4-Diamino-6-chloropyrimidine
CID 67432
2,4-Diamino-6-piperidinopyrimidine
CID 606255
Pyrimidine-4,6-diamine
CID 79608
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
2-Methylthiopyrimidine-4,6-diamine
CID 70497
6-Chloro-2-methylpyrimidin-4-amine
CID 286754
4,6-Pyrimidinediamine, monohydrochloride
CID 79607
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-methylpyrimidine-4,6-diamine (CID 817709) is 2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(N)n1.
What is the InChIKey of 2-methylpyrimidine-4,6-diamine?
The InChIKey is LMKVISRKRWWZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H4,6,7,8,9).
What are the key properties of 2-methylpyrimidine-4,6-diamine?
2-methylpyrimidine-4,6-diamine has a molecular weight of 124.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 817709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).